Crystallography Open Database

Information card for entry 7122646

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Coordinates	7122646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H40 Co N2
Calculated formula	C39 H40 Co N2
Title of publication	[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.
Authors of publication	Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	98
Pages of publication	13798 - 13801
a	17.7086 ± 0.0008 Å
b	16.5959 ± 0.0006 Å
c	12.4453 ± 0.0006 Å
α	90°
β	120.799 ± 0.006°
γ	90°
Cell volume	3141.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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